3687-26-1

啡哪唑(3687-26-1)红外图谱(IR2)

分子式:C24H16N6O6

分子量: 484.42

InChI:InChI=1S/C24H16N6O6/c31-19-7-3-17(4-8-19)25-27-21-11-1-15(13-23(21)29(33)34)16-2-12-22(24(14-16)30(35)36)28-26-18-5-9-20(32)10-6-18/h1-14,31-32H

InChIKey: IJNGMRAUFODTLK-UHFFFAOYSA-N

Smiles:C1(C2=CC=C(N=NC3=CC=C(O)C=C3)C([N+]([O-])=O)=C2)=CC=C(N=NC2=CC=C(O)C=C2)C([N+]([O-])=O)=C1

Mass

MS-NW-2364          
4,4'-(3,3'-dinitro-4,4'-biphenylylenebisazo)diphenol
C24H16N6O6          (Mass of molecular ion:    484)

   Source Temperature: 260 °C
   Sample Temperature: 240 °C
   Direct, 75 eV

      17.0       3.7
      18.0      18.4
      27.0       1.8
      28.0      11.2
      30.0       2.0
      39.0       9.5
      41.0       1.7
      43.0       1.4
      44.0       5.1
      51.0       1.5
      52.0       6.8
      53.0       2.4
      54.0       1.2
      55.0       1.4
      63.0       1.8
      64.0       2.1
      65.0      29.0
      66.0       2.0
      78.0       1.0
      79.0       4.6
      80.0       1.8
      81.0       2.1
      93.0     100.0
      94.0       7.4
     107.0       6.4
     108.0       2.2
     109.0       2.1
     121.0      78.3
     122.0       6.0
     152.0       1.0
     420.0       3.6
     452.0       1.1
     484.0       1.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₄ H₁₆ N₆ O₆	0.035 g : 0.5 ml DMSO-d₆
4,4'-(3,3'-dinitro-4,4'-biphenylylenebisazo)diphenol

    Assign.     Shift(ppm)

      A            10.67
      B             8.549
      C             8.219
      D             7.79
      E             6.988
     
     J(B,D)=1.1HZ
     J(C,D)=8.2HZ

     Hz     ppm     Int.

   4265.39  10.673    447
   3416.42   8.549    617
   3289.30   8.231    250
   3288.94   8.230    250
   3280.70   8.209    261
   3118.78   7.804    920
   3110.17   7.783   1000
   2814.54   7.043     22
   2813.80   7.041     22
   2813.44   7.040     22
   2812.89   7.039     22
   2812.34   7.038     22
   2810.14   7.032     27
   2809.77   7.031     28
   2809.41   7.030     29
   2809.04   7.029     30
   2808.49   7.028     32
   2796.77   6.999    850
   2788.16   6.977    817
   2776.44   6.948     22

in DMSO-d6

KBr disc

nujol mull

TOKYO CHEMICAL INDUSTRY CO., LTD.

九鼎化学（上海）科技有限公司

山东小野化学股份有限公司

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